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2-(4-aminophenyl)-1H-1,3-benzodiazol-5-amine

2-(4-aminophenyl)-1H-1,3-benzodiazol-5-amine

CAS: 7621-86-5

Formula: C13H12N4

SMILES: NC1=CC=C(C=C1)C1=NC2=CC(N)=CC=C2N1

IUPAC: 2-(4-aminophenyl)-1H-1,3-benzodiazol-5-amine

InChI: InChI=1S/C13H12N4/c14-9-3-1-8(2-4-9)13-16-11-6-5-10(15)7-12(11)17-13/h1-7H,14-15H2,(H,16,17)

Composition: C (69.62%), H (5.39%), N (24.98%)

Molar Mass: 224.267

Atom Count: 29

Heavy Atom Count: 17

Properties
Properties
Common Names N/A
Aromatic Ring Count 3
Asymmetric Atom Count 0
Exact Mass 224.106196402
Formal Charge 0
FSP3 0
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 3
InChIKey XAFOTXWPFVZQAZ-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 79.47
Topological Polar Surface Area 80.72
Polarizability 27.25
Ring Count 3
Rotatable Bond Count 1

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